diethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-propanedioate

Systemtic Name: diethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-propanedioate Openeye Name: diethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-propanedioate CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methylpropanedioate Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-malonic acid diethyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCN1CCC2=CC=CC=C2C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(CCCCN1CCC2=CC=CC=C2C1)C(=O)OCC

InChI

InChI=1S/C21H31NO4/c1-4-25-19(23)21(3,20(24)26-5-2)13-8-9-14-22-15-12-17-10-6-7-11-18(17)16-22/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3